N-[3-(4-bromo-1H-pyrazol-1-yl)propyl]-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-[3-(4-bromo-1H-pyrazol-1-yl)propyl]-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
N-[3-(4-bromo-1H-pyrazol-1-yl)propyl]-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y500-2028 |
| Compound Name: | N-[3-(4-bromo-1H-pyrazol-1-yl)propyl]-1-methyl-4-nitro-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 357.16 |
| Molecular Formula: | C11 H13 Br N6 O3 |
| Smiles: | Cn1c(C(NCCCn2cc(cn2)[Br])=O)c(cn1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.3079 |
| logD: | 0.3078 |
| logSw: | -1.381 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.845 |
| InChI Key: | LTIYCPOLNHKDJH-UHFFFAOYSA-N |